6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide

C17H13BrN4O — CID 109355732

IUPAC6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C17H13BrN4O/c18-12-6-8-14(9-7-12)22-17(23)15-10-16(20-11-19-15)21-13-4-2-1-3-5-13/h1-11H,(H,22,23)(H,19,20,21)
InChIKeyTWPAUNBQFMFNSI-UHFFFAOYSA-N
MW369.22 g/mol
LogP4.24
Rot. Bonds4

About 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide

6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide (PubChem CID 109355732) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
PubChem CID109355732
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C17H13BrN4O/c18-12-6-8-14(9-7-12)22-17(23)15-10-16(20-11-19-15)21-13-4-2-1-3-5-13/h1-11H,(H,22,23)(H,19,20,21)
InChIKeyTWPAUNBQFMFNSI-UHFFFAOYSA-N
XLogP4.24
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
6-anilino-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 167762854
N-(4-bromophenyl)-6-(4-cyanoanilino)pyrimidine-4-carboxamide
CID 109358687
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-(4-bromoanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358673
N-phenyl-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109355856
N-(4-bromophenyl)-6-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109347581
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
6-anilino-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109355759
6-anilino-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109355744
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
CID 109355772

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide (CID 109355732) is 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide?
The InChIKey is TWPAUNBQFMFNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-12-6-8-14(9-7-12)22-17(23)15-10-16(20-11-19-15)21-13-4-2-1-3-5-13/h1-11H,(H,22,23)(H,19,20,21).
What are the key properties of 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide?
6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide has a molecular weight of 369.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(4-bromophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109355732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).